(2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide

C30H40BrP — CID 173157523

IUPAC(2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide
SMILESBr.CCCCCCCC(Cc1ccccc1)C(P)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H39P.BrH/c1-2-3-4-5-15-22-29(23-26-16-9-6-10-17-26)30(31,24-27-18-11-7-12-19-27)25-28-20-13-8-14-21-28;/h6-14,16-21,29H,2-5,15,22-25,31H2,1H3;1H
InChIKeyDNSAEGWOLJQFII-UHFFFAOYSA-N
MW511.53 g/mol
LogP8.88
Rot. Bonds13

About (2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide

(2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide (PubChem CID 173157523) has the molecular formula C30H40BrP and a molecular weight of 511.53 g/mol. Its IUPAC name is (2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide.

Molecular Properties

Compound Name(2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide
PubChem CID173157523
Molecular FormulaC30H40BrP
Molecular Weight511.53 g/mol
Exact Mass510.21
IUPAC Name(2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide
SMILESBr.CCCCCCCC(Cc1ccccc1)C(P)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H39P.BrH/c1-2-3-4-5-15-22-29(23-26-16-9-6-10-17-26)30(31,24-27-18-11-7-12-19-27)25-28-20-13-8-14-21-28;/h6-14,16-21,29H,2-5,15,22-25,31H2,1H3;1H
InChIKeyDNSAEGWOLJQFII-UHFFFAOYSA-N
XLogP8.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.53
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide?
The IUPAC name of (2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide (CID 173157523) is (2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide.
What is the SMILES notation for (2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide?
The canonical SMILES for (2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide is Br.CCCCCCCC(Cc1ccccc1)C(P)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide?
The InChIKey is DNSAEGWOLJQFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39P.BrH/c1-2-3-4-5-15-22-29(23-26-16-9-6-10-17-26)30(31,24-27-18-11-7-12-19-27)25-28-20-13-8-14-21-28;/h6-14,16-21,29H,2-5,15,22-25,31H2,1H3;1H.
What are the key properties of (2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide?
(2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide has a molecular weight of 511.53 g/mol, XLogP of 8.88, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide is sourced from PubChem (CID 173157523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).